Chem
J-GLOBAL ID:200907075486696656   Nikkaji number:J2.637.535E

(S,E)-4-[1-[Boc-Asp-]-2α-Pyrrolidinyl]-N-[(R)-α-methylbenzyl]-2-isopropyl-3-buteneamide

(S,E)-4-[1-[Boc-Asp-]-2α-ピロリジニル]-N-[(R)-α-メチルベンジル]-2-イソプロピル-3-ブテンアミド
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C28H41N3O6
Molecular formula furigana: C28-H41-N3-O6
Molecular weight: 515.650
InChI: InChI=1S/C28H41N3O6/c1-18(2)22(25(34)29-19(3)20-11-8-7-9-12-20)15-14-21-13-10-16-31(21)26(35)23(17-24(32)33)30-27(36)37-28(4,5)6/h7-9,11-12,14-15,18-19,21-23H,10,13,16-17H2,1-6H3,(H,29,34)(H,30,36)(H,32,33)/b15-14+/t19-,21+,22-,23+/m1/s1
InChI key: SCMJDZYMQQIKKV-RDCUEQQVSA-N
SMILES: CC(C)[C@@H](/C=C/[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccccc1
Systematic name  (3):
  • (S,E)-4-[1-[Boc-Asp-]-2α-ピロリジニル]-N-[(R)-α-メチルベンジル]-2-イソプロピル-3-ブテンアミド
  • (3S)-3-{[(tert-ブトキシ)カルボニル]アミノ}-4-オキソ-4-[(2S)-2-[(1E,3S)-3-{[(1R)-1-フェニルエチル]カルバモイル}-3-(プロパン-2-イル)プロパ-1-エン-1-イル]ピロリジン-1-イル]ブタン酸
  • (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-oxo-4-[(2S)-2-[(1E,3S)-3-{[(1R)-1-phenylethyl]carbamoyl}-3-(propan-2-yl)prop-1-en-1-yl]pyrrolidin-1-yl]butanoic acid
Other name (1):
  • (S,E)-4-[1-[Boc-Asp-]-2α-Pyrrolidinyl]-N-[(R)-α-methylbenzyl]-2-isopropyl-3-buteneamide
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